Name: Name:9,10-Dihydro-8h-benzo[def]chrysen-7-one
Brand: Angene
SKU: AG00BY8S
Rating: 90 (10 reviews)

9,10-Dihydro-8h-benzo[def]chrysen-7-one

CAS No.:

3331-46-2

Catalog Number:

AG00BY8S

Molecular Formula:

C20H14O

Molecular Weight:

270.3246

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

250mg

97%

1 week

United States

$121

- +

97%

1 week

United States

$184

- +

Product Description

Catalog Number:

AG00BY8S

Chemical Name:

9,10-Dihydro-8h-benzo[def]chrysen-7-one

CAS Number:

3331-46-2

Molecular Formula:

C20H14O

Molecular Weight:

270.3246

MDL Number:

MFCD00003601

IUPAC Name:

9,10-dihydro-8H-benzo[a]pyren-7-one

InChI:

InChI=1S/C20H14O/c21-18-6-2-5-15-16-10-9-13-4-1-3-12-7-8-14(11-17(15)18)20(16)19(12)13/h1,3-4,7-11H,2,5-6H2

InChI Key:

AIGDHFJPKNZUOR-UHFFFAOYSA-N

SMILES:

O=C1CCCc2c1cc1ccc3c4c1c2ccc4ccc3

EC Number:

222-055-1

UNII:

61Z04YQ9CJ

NSC Number:

30830

Properties

Complexity:

441

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

270.104g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

270.331g/mol

Monoisotopic Mass:

270.104g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

17.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

5.1

Literature

Title	Journal
Vibrational and electronic spectra of 9,10-dihydrobenzo(a)pyren-7(8H)-one and 7,8,9,10-tetrahydrobenzo(a)pyrene: an experimental and computational study.	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20111015

Properties